#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6f s SER 2 N 0.00 -0.29 0.09 1.61 0.15 -1.26 -5.19 113.70 108.82 1x6f s SER 2 Ca 0.00 0.44 -0.26 0.00 0.70 0.00 0.00 55.95 56.83 1x6f s SER 2 Cb 0.00 0.40 0.09 0.00 -1.71 0.00 0.00 66.02 64.80 1x6f s SER 2 CO 0.00 -0.18 1.13 -0.94 1.20 0.00 0.00 173.24 174.44 1x6f s SER 3 N -0.50 -0.05 0.16 5.45 1.04 -1.26 -5.19 113.70 113.35 1x6f s SER 3 Ca 0.03 -0.40 -0.01 0.00 0.48 0.00 0.00 55.95 56.05 1x6f s SER 3 Cb -0.03 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 1x6f s SER 3 CO -0.05 -0.68 0.07 -0.83 0.98 0.00 0.00 173.24 172.74 1x6f s GLY 4 N -3.27 1.18 0.14 7.32 0.00 -1.26 -5.18 107.32 106.25 1x6f s GLY 4 Ca 0.19 -1.57 -0.12 0.00 0.00 0.00 0.00 44.72 43.22 1x6f s GLY 4 CO 0.01 -1.40 0.33 -1.35 0.00 0.00 0.00 173.10 170.69 1x6f s SER 5 N -3.10 -0.06 0.62 1.64 1.04 -1.26 -5.18 113.70 107.40 1x6f s SER 5 Ca 0.29 -0.59 -0.02 0.00 0.48 0.00 0.00 55.95 56.11 1x6f s SER 5 Cb 0.07 0.44 0.05 0.00 0.10 0.00 0.00 66.02 66.68 1x6f s SER 5 CO 0.05 -0.86 0.89 -0.94 0.98 0.00 0.00 173.24 173.36 1x6f s SER 6 N -2.88 5.07 0.00 7.02 1.04 -1.26 -5.10 113.70 117.60 1x6f s SER 6 Ca 0.08 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1x6f s SER 6 Cb 0.03 -0.99 0.00 0.00 0.10 0.00 0.00 66.02 65.15 1x6f s SER 6 CO -0.07 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 173.41 1x6f n GLY 7 N -2.61 3.34 2.95 7.32 0.00 -1.26 -5.15 105.19 109.77 1x6f n GLY 7 Ca 0.08 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1x6f n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x6f s LEU 8 N 0.00 -0.59 0.34 0.99 1.98 -1.26 -5.15 118.68 114.99 1x6f s LEU 8 Ca 0.00 0.30 -0.15 0.00 -2.89 0.00 0.00 54.13 51.39 1x6f s LEU 8 Cb 0.00 1.08 0.03 0.00 0.66 0.00 0.00 46.19 47.96 1x6f s LEU 8 CO 0.00 -0.29 0.70 -1.59 -1.89 0.00 0.00 176.35 173.28 1x6f s LYS 9 N 2.53 2.01 -1.31 1.98 0.00 -1.26 -5.07 119.74 118.62 1x6f s LYS 9 Ca 0.10 -1.34 -0.17 0.00 0.00 0.00 0.00 55.97 54.56 1x6f s LYS 9 Cb -0.15 0.58 0.08 0.00 0.00 0.00 0.00 37.83 38.34 1x6f s LYS 9 CO -0.15 -0.91 1.76 2.89 0.00 0.00 0.00 175.35 178.93 1x6f n ARG 10 N -0.50 3.19 -3.28 1.78 1.85 -1.26 -4.82 116.66 113.61 1x6f n ARG 10 Ca -0.05 -3.28 -0.06 0.00 -1.00 0.00 0.00 57.85 53.46 1x6f n ARG 10 Cb 0.60 -3.43 -0.05 0.00 -1.05 0.00 0.00 32.46 28.52 1x6f n ARG 10 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1x6f s ASP 11 N 3.97 -0.17 -0.30 2.89 1.01 -1.26 -5.12 116.67 117.69 1x6f s ASP 11 Ca 0.52 0.16 -0.14 0.00 0.71 0.00 0.00 52.55 53.80 1x6f s ASP 11 Cb 0.04 1.38 0.18 0.00 1.01 0.00 0.00 42.92 45.53 1x6f s ASP 11 CO 0.06 -0.31 1.09 0.72 0.21 0.00 0.00 175.17 176.94 1x6f s PHE 12 N 2.63 -0.44 0.09 4.23 -0.71 -1.26 -5.15 117.98 117.37 1x6f s PHE 12 Ca 0.13 0.49 -0.30 0.00 -1.04 0.00 0.00 56.93 56.21 1x6f s PHE 12 Cb -0.14 0.16 -0.06 0.00 -1.21 0.00 0.00 43.02 41.78 1x6f s PHE 12 CO -0.22 -0.24 1.10 0.42 -1.34 0.00 0.00 175.22 174.94 1x6f s ILE 13 N 2.90 4.20 -0.33 -4.49 1.01 -1.26 -5.02 121.20 118.21 1x6f s ILE 13 Ca -0.03 1.70 -0.08 0.00 0.00 0.00 0.00 60.65 62.24 1x6f s ILE 13 Cb -0.09 -4.08 0.02 0.00 0.01 0.00 0.00 42.46 38.31 1x6f s ILE 13 CO -0.11 0.20 0.13 -0.63 0.00 0.00 0.00 174.94 174.53 1x6f s ILE 14 N 0.53 4.21 0.19 2.92 -1.09 -1.26 -5.09 121.20 121.61 1x6f s ILE 14 Ca 0.53 -0.80 0.01 0.00 -2.23 0.00 0.00 60.65 58.16 1x6f s ILE 14 Cb -0.27 -3.27 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 1x6f s ILE 14 CO 0.31 -0.07 0.36 -1.48 -1.23 0.00 0.00 174.94 172.82 1x6f s LEU 15 N 1.51 4.26 0.00 2.97 2.34 -1.26 -5.00 118.68 123.51 1x6f s LEU 15 Ca 0.02 0.31 0.00 0.00 0.06 0.00 0.00 54.13 54.52 1x6f s LEU 15 Cb -0.18 -3.07 0.00 0.00 -0.56 0.00 0.00 46.19 42.38 1x6f s LEU 15 CO 0.04 -0.02 0.00 0.61 -1.06 0.00 0.00 176.35 175.92 1x6f n GLY 16 N -0.70 -0.72 3.52 -3.48 0.00 -1.26 -5.17 105.19 97.39 1x6f n GLY 16 Ca -0.06 0.26 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 1x6f n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x6f s ASN 17 N 0.00 -0.75 1.40 1.61 3.84 -1.26 -5.17 114.94 114.61 1x6f s ASN 17 Ca 0.00 1.29 -0.21 0.00 0.21 0.00 0.00 52.86 54.15 1x6f s ASN 17 Cb 0.00 1.21 0.33 0.00 -0.55 0.00 0.00 41.25 42.24 1x6f s ASN 17 CO 0.00 -0.22 0.81 0.61 -2.79 0.00 0.00 177.10 175.51 1x6f n GLY 18 N 3.81 -3.73 3.77 1.21 0.00 -1.26 -4.98 105.19 104.01 1x6f n GLY 18 Ca -0.19 -1.32 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 1x6f n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6f s PRO 19 N -4.92 2.93 1.21 1.61 0.04 -1.26 -5.04 135.00 129.57 1x6f s PRO 19 Ca 0.61 1.45 -0.19 0.00 0.04 0.00 0.00 61.00 62.90 1x6f s PRO 19 Cb -0.10 -1.96 0.29 0.00 0.04 0.00 0.00 34.50 32.77 1x6f s PRO 19 CO 0.50 -1.16 1.10 -0.98 0.04 0.00 0.00 177.00 176.51 1x6f s ARG 20 N -3.90 -1.30 -0.71 4.56 1.70 -1.26 -4.71 118.95 113.34 1x6f s ARG 20 Ca 0.68 -0.06 -0.26 0.00 -0.47 0.00 0.00 55.73 55.62 1x6f s ARG 20 Cb -0.21 -1.59 -0.17 0.00 -0.57 0.00 0.00 34.95 32.41 1x6f s ARG 20 CO 0.38 -3.76 2.03 -0.11 -1.08 0.00 0.00 175.30 172.76 1x6f n LEU 21 N -4.80 0.30 -0.08 -1.89 -0.00 -1.26 -4.75 117.00 104.52 1x6f n LEU 21 Ca 0.13 0.22 -0.08 0.00 -0.00 0.00 0.00 56.01 56.28 1x6f n LEU 21 Cb 0.59 -0.72 -0.03 0.00 -0.00 0.00 0.00 43.42 43.27 1x6f n LEU 21 CO 0.45 -0.57 -0.63 1.67 -0.00 0.00 0.00 177.39 178.31 1x6f n GLN 22 N 6.51 0.49 -4.57 1.96 7.27 -1.26 -4.98 117.38 122.80 1x6f n GLN 22 Ca 0.50 0.19 -0.33 0.00 0.07 0.00 0.00 57.00 57.43 1x6f n GLN 22 Cb 0.01 -1.36 -0.15 0.00 2.41 0.00 0.00 30.24 31.16 1x6f n GLN 22 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1x6f s ASN 23 N -5.88 3.95 -1.18 1.69 4.22 -1.26 -5.05 114.94 111.42 1x6f s ASN 23 Ca -0.27 -0.38 -0.13 0.00 -2.14 0.00 0.00 52.86 49.95 1x6f s ASN 23 Cb 0.04 -1.62 0.19 0.00 1.28 0.00 0.00 41.25 41.15 1x6f s ASN 23 CO 0.40 0.11 1.35 -0.44 -2.04 0.00 0.00 177.10 176.48 1x6f s SER 24 N 0.66 7.12 0.04 3.54 0.01 -1.26 -5.00 113.70 118.82 1x6f s SER 24 Ca -0.07 -3.11 0.03 0.00 1.31 0.00 0.00 55.95 54.11 1x6f s SER 24 Cb -0.15 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 1x6f s SER 24 CO 0.02 -0.65 0.01 -0.89 0.41 0.00 0.00 173.24 172.15 1x6f s THR 25 N 0.95 4.15 -0.30 1.44 2.01 -1.26 -4.82 115.64 117.81 1x6f s THR 25 Ca 0.40 -0.77 -0.21 0.00 0.31 0.00 0.00 61.69 61.41 1x6f s THR 25 Cb -0.04 -2.92 -0.01 0.00 0.01 0.00 0.00 72.50 69.54 1x6f s THR 25 CO -0.02 0.24 0.67 -0.31 -0.69 0.00 0.00 174.62 174.51 1x6f s TYR 26 N -1.21 3.22 -0.36 4.92 1.51 0.57 -4.89 117.35 121.11 1x6f s TYR 26 Ca 0.23 0.68 -0.16 0.00 -1.01 0.00 0.00 57.07 56.82 1x6f s TYR 26 Cb -0.12 -3.02 -0.00 0.00 -0.11 0.00 0.00 41.96 38.71 1x6f s TYR 26 CO 0.15 -0.47 0.40 -1.14 -1.11 0.00 0.00 175.55 173.38 1x6f s GLN 27 N 2.68 3.46 0.96 -0.62 2.00 -1.26 -1.30 119.66 125.58 1x6f s GLN 27 Ca 0.27 -0.47 -0.12 0.00 -2.00 0.00 0.00 55.36 53.05 1x6f s GLN 27 Cb -0.15 -3.84 0.17 0.00 0.80 0.00 0.00 33.01 29.99 1x6f s GLN 27 CO 0.11 -0.62 1.09 0.00 -0.50 0.00 0.00 175.29 175.38 1x6f n LYS 29 N -4.10 4.56 -0.05 0.00 0.00 -1.26 -3.54 118.16 113.77 1x6f n LYS 29 Ca 0.06 -0.01 -0.22 0.00 -0.00 0.00 0.00 58.31 58.15 1x6f n LYS 29 Cb 0.56 -0.77 -0.13 0.00 -0.00 0.00 0.00 35.03 34.69 1x6f n LYS 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1x6f h HIS 30 N 0.00 0.24 0.00 5.58 3.86 -2.00 -3.41 115.15 119.41 1x6f h HIS 30 Ca 0.00 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1x6f h HIS 30 Cb 0.12 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1x6f h HIS 30 CO 0.00 1.61 -1.07 0.00 0.86 0.00 0.00 177.93 179.33 1x6f n ASP 32 N -1.58 -3.59 -3.47 0.00 2.03 -1.23 -5.02 116.55 103.69 1x6f n ASP 32 Ca -0.01 -0.17 -0.15 0.00 0.52 0.00 0.00 54.79 54.98 1x6f n ASP 32 Cb 0.11 -2.32 0.09 0.00 -0.72 0.00 0.00 41.12 38.27 1x6f n ASP 32 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1x6f n SER 33 N -0.16 0.62 -3.99 1.67 2.88 -1.26 -4.70 113.62 108.68 1x6f n SER 33 Ca -0.02 -1.59 -0.28 0.00 -1.33 0.00 0.00 58.87 55.64 1x6f n SER 33 Cb 0.54 -0.47 -0.17 0.00 -0.75 0.00 0.00 64.21 63.36 1x6f n SER 33 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1x6f s LYS 34 N -4.28 1.99 0.11 -1.46 1.02 -1.26 -2.25 119.74 113.62 1x6f s LYS 34 Ca 0.43 -0.45 0.10 0.00 0.02 0.00 0.00 55.97 56.07 1x6f s LYS 34 Cb -0.02 -1.85 -0.04 0.00 -0.52 0.00 0.00 37.83 35.41 1x6f s LYS 34 CO 0.29 -0.20 -0.26 -0.51 -0.92 0.00 0.00 175.35 173.75 1x6f s LEU 35 N 1.41 2.29 0.12 3.17 1.02 -0.42 -4.91 118.68 121.37 1x6f s LEU 35 Ca 0.02 -0.72 -0.27 0.00 0.02 0.00 0.00 54.13 53.17 1x6f s LEU 35 Cb -0.13 -1.20 -0.06 0.00 0.02 0.00 0.00 46.19 44.82 1x6f s LEU 35 CO -0.07 0.18 1.61 1.56 0.02 0.00 0.00 176.35 179.65 1x6f h GLN 36 N 4.05 -0.46 0.00 1.70 4.20 -1.90 0.16 115.11 122.86 1x6f h GLN 36 Ca -0.50 0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.26 1x6f h GLN 36 Cb 1.17 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 29.05 1x6f h GLN 36 CO 0.40 -0.31 0.29 0.43 -0.67 0.00 0.00 178.83 178.97 1x6f n SER 37 N -5.41 -1.71 -0.20 1.46 7.64 -1.26 -4.36 113.62 109.77 1x6f n SER 37 Ca -0.05 -2.12 -0.07 0.00 1.01 0.00 0.00 58.87 57.65 1x6f n SER 37 Cb 0.33 2.83 -0.01 0.00 -1.01 0.00 0.00 64.21 66.35 1x6f n SER 37 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1x6f h THR 38 N 1.79 0.13 -1.49 0.44 2.02 -1.98 0.30 112.91 114.11 1x6f h THR 38 Ca -0.25 0.00 0.45 0.00 0.77 0.00 0.00 66.41 67.38 1x6f h THR 38 Cb 0.98 0.13 -0.08 0.00 -1.74 0.00 0.00 68.15 67.43 1x6f h THR 38 CO 0.33 0.00 1.05 0.00 0.37 0.00 0.00 175.52 177.26 1x6f n ALA 39 N -3.15 1.44 0.00 6.16 0.00 -1.26 0.24 120.51 123.94 1x6f n ALA 39 Ca 0.03 0.58 -0.19 0.00 0.00 0.00 0.00 53.44 53.86 1x6f n ALA 39 Cb 0.35 -0.92 -0.14 0.00 0.00 0.00 0.00 19.45 18.75 1x6f n ALA 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x6f n GLU 40 N -3.77 0.74 -0.18 0.00 -0.58 0.10 -4.05 120.64 112.90 1x6f n GLU 40 Ca 0.36 0.27 -0.04 0.00 -0.42 0.00 0.00 57.16 57.33 1x6f n GLU 40 Cb 1.55 -1.73 0.15 0.00 -0.57 0.00 0.00 31.44 30.85 1x6f n GLU 40 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1x6f h LEU 41 N 0.06 0.88 -1.45 -4.62 5.85 0.37 0.22 115.31 116.62 1x6f h LEU 41 Ca -0.40 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.20 1x6f h LEU 41 Cb 2.03 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.80 1x6f h LEU 41 CO 0.09 0.83 0.39 0.74 -0.34 0.00 0.00 178.44 180.15 1x6f h THR 42 N 0.92 1.10 0.11 1.05 2.02 -0.72 0.22 112.91 117.60 1x6f h THR 42 Ca 0.20 -0.25 -0.27 0.00 0.77 0.00 0.00 66.41 66.86 1x6f h THR 42 Cb 0.27 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1x6f h THR 42 CO -0.01 0.13 -1.39 0.28 0.37 0.00 0.00 175.52 174.90 1x6f h SER 43 N 0.73 0.35 -0.59 4.18 0.02 -1.58 -3.29 113.55 113.37 1x6f h SER 43 Ca 0.23 -0.84 0.01 0.00 -0.84 0.00 0.00 61.79 60.35 1x6f h SER 43 Cb 0.02 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1x6f h SER 43 CO -0.06 1.61 0.39 -0.74 -1.14 0.00 0.00 176.83 176.89 1x6f h HIS 44 N -0.34 0.74 -0.41 3.45 6.17 -0.41 -2.72 115.15 121.63 1x6f h HIS 44 Ca -0.30 0.02 0.06 0.00 0.71 0.00 0.00 60.37 60.85 1x6f h HIS 44 Cb 1.73 -0.25 -0.05 0.00 2.52 0.00 0.00 27.41 31.36 1x6f h HIS 44 CO 0.13 0.46 0.12 -0.07 0.71 0.00 0.00 177.93 179.28 1x6f h LEU 45 N 0.79 0.10 -1.08 0.26 3.38 -0.73 -1.77 115.31 116.27 1x6f h LEU 45 Ca 0.22 0.05 0.41 0.00 0.09 0.00 0.00 57.88 58.66 1x6f h LEU 45 Cb -0.08 0.05 -0.17 0.00 0.09 0.00 0.00 40.66 40.56 1x6f h LEU 45 CO -0.05 0.09 0.61 0.78 0.09 0.00 0.00 178.44 179.96 1x6f h ASN 46 N 0.27 0.33 -0.60 -0.43 2.35 -1.55 0.78 115.58 116.72 1x6f h ASN 46 Ca 0.19 0.23 0.09 0.00 -0.55 0.00 0.00 56.30 56.27 1x6f h ASN 46 Cb 0.20 0.23 -0.07 0.00 0.05 0.00 0.00 38.32 38.73 1x6f h ASN 46 CO -0.22 -0.36 0.22 0.40 -1.65 0.00 0.00 177.43 175.83 1x6f h ILE 47 N 0.05 0.77 -0.15 2.81 2.04 -1.38 -2.02 117.51 119.63 1x6f h ILE 47 Ca 0.84 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 66.58 1x6f h ILE 47 Cb 2.26 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 1x6f h ILE 47 CO -0.69 0.07 -0.01 0.45 0.00 0.00 0.00 178.15 177.98 1x6f h HIS 48 N 0.40 -0.02 0.09 1.37 3.86 0.47 -2.80 115.15 118.52 1x6f h HIS 48 Ca 0.30 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.54 1x6f h HIS 48 Cb 0.38 0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.83 1x6f h HIS 48 CO -0.17 -0.03 -0.48 -0.91 0.86 0.00 0.00 177.93 177.21 1x6f h ASN 49 N 0.04 -1.44 -0.93 2.45 4.21 -1.27 0.32 115.58 118.97 1x6f h ASN 49 Ca 0.07 0.15 0.19 0.00 1.21 0.00 0.00 56.30 57.92 1x6f h ASN 49 Cb 0.09 0.53 -0.18 0.00 -1.12 0.00 0.00 38.32 37.65 1x6f h ASN 49 CO -0.12 -0.50 -0.21 -0.33 -1.29 0.00 0.00 177.43 174.98 1x6f h GLU 50 N -0.67 0.00 -0.53 0.81 5.08 -1.33 0.52 114.58 118.47 1x6f h GLU 50 Ca -0.00 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1x6f h GLU 50 Cb 0.68 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1x6f h GLU 50 CO -0.27 0.00 -0.05 0.93 -1.00 0.00 0.00 179.01 178.62 1x6f h GLU 51 N 0.00 0.97 -0.75 2.33 4.39 -1.11 -3.04 114.58 117.37 1x6f h GLU 51 Ca 0.45 -0.33 0.15 0.00 0.34 0.00 0.00 59.36 59.97 1x6f h GLU 51 Cb 0.71 -0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 29.19 1x6f h GLU 51 CO -0.94 1.00 0.25 0.35 -1.16 0.00 0.00 179.01 178.50 1x6f h PHE 52 N 0.84 0.40 -0.90 4.33 3.57 0.39 0.59 116.94 126.16 1x6f h PHE 52 Ca 0.14 0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.80 1x6f h PHE 52 Cb 0.60 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 39.19 1x6f h PHE 52 CO 0.04 -0.02 0.53 1.96 -2.23 0.00 0.00 178.31 178.59 1x6f h GLN 53 N 0.35 0.80 -0.39 1.11 4.20 -1.18 0.34 115.11 120.33 1x6f h GLN 53 Ca 0.42 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 59.04 1x6f h GLN 53 Cb 0.69 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 1x6f h GLN 53 CO -0.46 0.53 0.04 0.87 -0.67 0.00 0.00 178.83 179.14 1x6f h LYS 54 N 0.82 0.60 -0.23 1.46 6.56 -0.96 -2.82 116.57 122.01 1x6f h LYS 54 Ca 0.46 -0.12 -0.14 0.00 -1.06 0.00 0.00 60.65 59.78 1x6f h LYS 54 Cb 0.50 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.07 1x6f h LYS 54 CO -0.29 0.60 -0.42 0.00 -2.06 0.00 0.00 179.45 177.28 1x6f h ARG 55 N 0.58 0.69 -1.51 3.15 3.08 -0.56 -3.12 114.38 116.70 1x6f h ARG 55 Ca 0.13 -0.43 -0.09 0.00 0.07 0.00 0.00 59.98 59.65 1x6f h ARG 55 Cb 0.31 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 1x6f h ARG 55 CO 0.01 1.05 0.12 0.00 -1.07 0.00 0.00 179.97 180.08 1x6f n ALA 56 N -2.53 3.80 -0.09 0.04 0.00 -0.29 -4.07 120.51 117.37 1x6f n ALA 56 Ca -0.05 -0.48 -0.10 0.00 0.00 0.00 0.00 53.44 52.81 1x6f n ALA 56 Cb 0.55 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 1x6f n ALA 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1x6f n LYS 57 N 0.79 0.52 0.21 0.00 3.00 -1.18 -4.52 118.16 116.97 1x6f n LYS 57 Ca 0.09 0.28 -0.13 0.00 -0.00 0.00 0.00 58.31 58.55 1x6f n LYS 57 Cb 0.58 -1.49 -0.08 0.00 0.00 0.00 0.00 35.03 34.05 1x6f n LYS 57 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 1x6f h ARG 58 N -1.00 -0.52 -3.95 1.64 9.65 -1.80 -3.43 114.38 114.97 1x6f h ARG 58 Ca -0.05 0.04 -0.50 0.00 -1.10 0.00 0.00 59.98 58.36 1x6f h ARG 58 Cb 0.95 0.12 -0.38 0.00 -1.39 0.00 0.00 29.97 29.27 1x6f h ARG 58 CO -0.03 -0.21 -0.78 1.14 2.80 0.00 0.00 179.97 182.88 1x6f s GLN 59 N -4.64 1.09 -0.14 0.20 -2.07 -1.26 -5.03 119.66 107.81 1x6f s GLN 59 Ca -0.14 -0.22 -0.29 0.00 -1.82 0.00 0.00 55.36 52.89 1x6f s GLN 59 Cb 0.02 -1.56 -0.26 0.00 -1.09 0.00 0.00 33.01 30.12 1x6f s GLN 59 CO 0.51 -0.37 0.76 1.49 -1.32 0.00 0.00 175.29 176.35 1x6f h GLU 60 N 8.22 0.01 0.00 9.60 4.81 -1.84 -3.41 114.58 131.96 1x6f h GLU 60 Ca -0.23 -0.01 -0.35 0.00 -0.13 0.00 0.00 59.36 58.63 1x6f h GLU 60 Cb 1.12 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.42 1x6f h GLU 60 CO 0.35 1.01 -0.25 0.54 -0.73 0.00 0.00 179.01 179.93 1x6f n ARG 61 N -4.59 0.63 -0.38 1.92 5.12 -1.26 -4.99 116.66 113.11 1x6f n ARG 61 Ca -0.11 -3.04 -0.06 0.00 -1.93 0.00 0.00 57.85 52.71 1x6f n ARG 61 Cb 0.50 2.78 0.03 0.00 -1.16 0.00 0.00 32.46 34.61 1x6f n ARG 61 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1x6f n ARG 62 N -0.61 1.30 -1.11 5.56 0.63 -1.26 -4.96 116.66 116.21 1x6f n ARG 62 Ca 0.03 -0.68 -0.37 0.00 -0.92 0.00 0.00 57.85 55.91 1x6f n ARG 62 Cb 0.61 -1.26 0.03 0.00 0.45 0.00 0.00 32.46 32.28 1x6f n ARG 62 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1x6f n LYS 63 N 0.36 0.00 -2.72 -0.14 0.00 -1.26 -3.68 118.16 110.72 1x6f n LYS 63 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.35 1x6f n LYS 63 Cb 0.70 -1.00 0.05 0.00 0.00 0.00 0.00 35.03 34.78 1x6f n LYS 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1x6f n GLN 64 N 2.04 -3.00 -4.11 1.64 6.02 -1.26 -5.03 117.38 113.68 1x6f n GLN 64 Ca 0.02 0.49 -0.33 0.00 -0.01 0.00 0.00 57.00 57.18 1x6f n GLN 64 Cb 0.52 -4.28 -0.16 0.00 1.02 0.00 0.00 30.24 27.34 1x6f n GLN 64 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 1x6f s LEU 65 N -4.45 2.27 -0.02 1.08 2.34 -1.24 -4.98 118.68 113.68 1x6f s LEU 65 Ca 0.08 -0.74 0.07 0.00 0.06 0.00 0.00 54.13 53.60 1x6f s LEU 65 Cb -0.01 -1.47 0.22 0.00 -0.56 0.00 0.00 46.19 44.37 1x6f s LEU 65 CO 0.42 -0.03 1.11 0.00 -1.06 0.00 0.00 176.35 176.79 1x6f n LEU 66 N 4.61 1.51 -4.60 1.48 -0.00 -1.26 -4.86 117.00 113.88 1x6f n LEU 66 Ca -0.20 -0.76 -0.43 0.00 -0.00 0.00 0.00 56.01 54.63 1x6f n LEU 66 Cb 0.49 -0.24 -0.03 0.00 -0.00 0.00 0.00 43.42 43.64 1x6f n LEU 66 CO 0.25 0.32 1.53 -0.94 -0.00 0.00 0.00 177.39 178.56 1x6f s SER 67 N -0.84 5.89 0.00 1.45 1.04 -1.26 -4.95 113.70 115.04 1x6f s SER 67 Ca 0.16 1.31 -0.13 0.00 0.48 0.00 0.00 55.95 57.76 1x6f s SER 67 Cb 0.09 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.70 1x6f s SER 67 CO 0.09 -1.71 0.28 -0.75 0.98 0.00 0.00 173.24 172.13 1x6f s LYS 68 N 5.66 0.67 0.42 4.02 2.20 -1.26 -5.18 119.74 126.27 1x6f s LYS 68 Ca 0.80 -0.31 0.07 0.00 -0.36 0.00 0.00 55.97 56.17 1x6f s LYS 68 Cb -0.22 0.29 -0.06 0.00 -1.51 0.00 0.00 37.83 36.33 1x6f s LYS 68 CO 0.34 -0.19 0.12 1.14 -0.36 0.00 0.00 175.35 176.39 1x6f s GLN 69 N -1.65 2.13 0.39 4.03 -2.07 -1.26 -5.16 119.66 116.07 1x6f s GLN 69 Ca -0.12 -1.97 0.08 0.00 -1.82 0.00 0.00 55.36 51.53 1x6f s GLN 69 Cb -0.04 -1.84 -0.06 0.00 -1.09 0.00 0.00 33.01 29.97 1x6f s GLN 69 CO 0.02 -0.11 0.07 0.15 -1.32 0.00 0.00 175.29 174.09 1x6f s LYS 70 N -3.84 2.08 0.09 9.60 1.02 -1.26 -5.16 119.74 122.27 1x6f s LYS 70 Ca 0.37 -1.90 0.03 0.00 0.02 0.00 0.00 55.97 54.49 1x6f s LYS 70 Cb 0.06 -1.85 -0.04 0.00 -0.52 0.00 0.00 37.83 35.48 1x6f s LYS 70 CO 0.20 -0.01 -0.08 1.52 -0.92 0.00 0.00 175.35 176.06 1x6f s TYR 71 N -2.61 0.94 0.36 3.18 1.13 -1.26 -5.17 117.35 113.92 1x6f s TYR 71 Ca 0.37 -0.73 0.07 0.00 -1.41 0.00 0.00 57.07 55.37 1x6f s TYR 71 Cb 0.04 -0.53 -0.07 0.00 -1.10 0.00 0.00 41.96 40.31 1x6f s TYR 71 CO 0.20 -0.07 -0.00 0.00 -2.51 0.00 0.00 175.55 173.17 1x6f s ALA 72 N -2.72 2.85 -0.06 9.51 0.00 -1.26 -5.10 121.76 124.98 1x6f s ALA 72 Ca 0.06 -2.17 -0.09 0.00 0.00 0.00 0.00 51.96 49.76 1x6f s ALA 72 Cb -0.01 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 1x6f s ALA 72 CO -0.02 -0.12 -0.17 -0.25 0.00 0.00 0.00 175.76 175.20 1x6f n ASP 73 N -0.83 1.21 -0.47 0.00 9.92 -1.26 -5.14 116.55 119.98 1x6f n ASP 73 Ca -0.04 0.19 0.03 0.00 -0.53 0.00 0.00 54.79 54.44 1x6f n ASP 73 Cb 0.66 -0.53 -0.02 0.00 -0.64 0.00 0.00 41.12 40.60 1x6f n ASP 73 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x6f n GLY 74 N 2.18 -3.01 3.52 0.44 0.00 -1.26 -5.09 105.19 101.97 1x6f n GLY 74 Ca -0.07 -1.25 -0.08 0.00 0.00 0.00 0.00 46.02 44.62 1x6f n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6f s ALA 75 N -3.86 -1.82 0.25 4.61 0.00 -1.26 -5.19 121.76 114.48 1x6f s ALA 75 Ca 0.00 0.98 -0.22 0.00 0.00 0.00 0.00 51.96 52.72 1x6f s ALA 75 Cb 0.00 0.41 0.04 0.00 0.00 0.00 0.00 23.12 23.57 1x6f s ALA 75 CO 0.00 -0.71 0.81 -0.06 0.00 0.00 0.00 175.76 175.80 1x6f s PHE 76 N -3.11 -0.14 -0.20 0.00 0.08 -1.26 -5.19 117.98 108.16 1x6f s PHE 76 Ca 0.06 -0.29 -0.32 0.00 0.12 0.00 0.00 56.93 56.50 1x6f s PHE 76 Cb -0.01 0.70 0.15 0.00 -0.57 0.00 0.00 43.02 43.29 1x6f s PHE 76 CO -0.08 -1.13 1.19 0.00 -0.10 0.00 0.00 175.22 175.10 1x6f s ALA 77 N -3.56 -2.05 0.23 5.36 0.00 -1.26 -5.19 121.76 115.30 1x6f s ALA 77 Ca 0.12 1.65 -0.22 0.00 0.00 0.00 0.00 51.96 53.51 1x6f s ALA 77 Cb -0.04 -0.56 0.04 0.00 0.00 0.00 0.00 23.12 22.55 1x6f s ALA 77 CO 0.06 -0.45 0.74 -0.51 0.00 0.00 0.00 175.76 175.60 1x6f s ASP 78 N -1.69 -0.30 0.31 0.00 1.01 -1.26 -5.19 116.67 109.55 1x6f s ASP 78 Ca 0.07 -0.47 -0.02 0.00 0.71 0.00 0.00 52.55 52.84 1x6f s ASP 78 Cb -0.01 0.66 0.01 0.00 1.01 0.00 0.00 42.92 44.59 1x6f s ASP 78 CO -0.04 -1.20 0.45 0.49 0.21 0.00 0.00 175.17 175.07 1x6f n PHE 79 N -0.44 -1.39 -3.47 4.23 3.72 -1.26 -5.19 117.46 113.66 1x6f n PHE 79 Ca -0.06 -2.05 -0.14 0.00 -0.05 0.00 0.00 57.45 55.14 1x6f n PHE 79 Cb 0.60 0.51 -0.04 0.00 -0.94 0.00 0.00 39.48 39.62 1x6f n PHE 79 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 1x6f s LYS 80 N -2.66 1.18 -0.29 -1.08 0.00 -1.26 -5.17 119.74 110.45 1x6f s LYS 80 Ca 0.25 -0.22 -0.18 0.00 0.00 0.00 0.00 55.97 55.82 1x6f s LYS 80 Cb -0.01 0.55 0.18 0.00 0.00 0.00 0.00 37.83 38.55 1x6f s LYS 80 CO 0.18 -0.47 1.19 -1.14 0.00 0.00 0.00 175.35 175.12 1x6f s GLN 81 N -2.81 0.18 0.05 1.78 0.74 -1.26 -5.18 119.66 113.16 1x6f s GLN 81 Ca -0.03 0.28 -0.09 0.00 0.05 0.00 0.00 55.36 55.57 1x6f s GLN 81 Cb -0.01 0.05 0.00 0.00 1.10 0.00 0.00 33.01 34.16 1x6f s GLN 81 CO -0.05 -0.03 0.18 -1.21 -0.55 0.00 0.00 175.29 173.64 1x6f s GLU 82 N 0.88 0.72 0.11 1.67 0.41 -1.26 -5.18 118.70 116.06 1x6f s GLU 82 Ca -0.05 -0.72 -0.25 0.00 -0.41 0.00 0.00 54.97 53.54 1x6f s GLU 82 Cb -0.03 0.29 0.08 0.00 -1.78 0.00 0.00 34.13 32.69 1x6f s GLU 82 CO -0.12 -0.21 0.67 -1.12 -0.49 0.00 0.00 175.26 173.99 1x6f s SER 83 N -2.28 -0.53 -0.30 -0.19 0.01 -1.26 -5.17 113.70 103.99 1x6f s SER 83 Ca -0.03 0.03 -0.18 0.00 1.31 0.00 0.00 55.95 57.09 1x6f s SER 83 Cb 0.00 0.55 0.20 0.00 0.21 0.00 0.00 66.02 66.98 1x6f s SER 83 CO -0.06 -0.87 1.26 -0.83 0.41 0.00 0.00 173.24 173.15 1x6f s GLY 84 N -2.62 0.39 0.87 3.44 0.00 -1.26 -5.18 107.32 102.97 1x6f s GLY 84 Ca 0.01 3.70 -0.15 0.00 0.00 0.00 0.00 44.72 48.28 1x6f s GLY 84 CO -0.11 3.13 0.77 -1.55 0.00 0.00 0.00 173.10 175.35 1x6f n PRO 85 N 4.00 -2.53 -3.64 2.90 -0.04 -1.26 -5.10 135.00 129.33 1x6f n PRO 85 Ca -0.11 -1.24 -0.07 0.00 -0.04 0.00 0.00 63.50 62.05 1x6f n PRO 85 Cb 0.56 -1.16 -0.07 0.00 -0.04 0.00 0.00 33.50 32.79 1x6f n PRO 85 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x6f s SER 86 N -3.59 -0.61 -0.14 3.54 1.04 -1.26 -5.09 113.70 107.59 1x6f s SER 86 Ca 0.50 1.05 -0.12 0.00 0.48 0.00 0.00 55.95 57.86 1x6f s SER 86 Cb -0.05 1.18 -0.04 0.00 0.10 0.00 0.00 66.02 67.21 1x6f s SER 86 CO 0.39 -0.17 -0.23 -1.20 0.98 0.00 0.00 173.24 173.00 1x6f n SER 87 N 3.29 1.62 -0.95 7.02 7.64 -1.26 -5.39 113.62 125.59 1x6f n SER 87 Ca -0.17 0.42 0.12 0.00 1.01 0.00 0.00 58.87 60.26 1x6f n SER 87 Cb 0.57 -0.76 0.11 0.00 -1.01 0.00 0.00 64.21 63.12 1x6f n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64